UCSF

ZINC13679809

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 19 Yes

Popular Name: dimethylBLAH dimethylBLAH

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.25 9.86 -43.78 1 2 1 9 255.385 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 61 0.53 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 1647 0.43 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 361 0.47 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.44 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 264 0.48 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 337 0.48 Functional ≤ 10μM
DRD2-20-E Dopamine D2 Receptor (cluster #20 Of 24), Eukaryotic Eukaryotes 712 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 61 0.53 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 712 0.45 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 361 0.47 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 61 0.53 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 712 0.45 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 1647 0.43 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 361 0.47 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 1000 0.44 Functional ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 264 0.48 Functional ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 337 0.48 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events
G alpha (s) signalling events

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.